S. Hayashi

O. Tabata, S. Hayashi, K. Sugano, 2004, 17th IEEE International Conference on Micro Electro Mechanical Systems. Maastricht MEMS 2004 Technical Digest.

A Blue-shifted Light-driven Proton Pump for Neural Silencing*

S. Hayashi, L. Reissig, S. Takagi, 2013, The Journal of Biological Chemistry.

Epitaxial growth of tetraphenylmetalporphyrin films vapor-deposited on alkali halides

Y. Fujiyoshi, S. Hayashi, Y. Ueda, 1993 .

Crystal growth of tetraphenylporphyrin thin films

S. Hayashi, H. Yanagi, M. Ashida, 1990 .

QM/MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins.

S. Hayashi, M. Higashi, M. Kamiya, 2017, Annual review of physical chemistry.

Critical role of a thiolate-quinone charge transfer complex and its adduct form in de novo disulfide bond generation by DsbB.

Koreaki Ito, S. Hayashi, K. Inaba, 2006, Proceedings of the National Academy of Sciences of the United States of America.

Chemical Reactions in Biological Systems Studied by Hybrid QM/MM Simulations

S. Hayashi, 2006 .

Cryo-EM structures of thermostabilized prestin provide mechanistic insights underlying outer hair cell electromotility

O. Nureki, K. Homma, T. Nishizawa, 2022, Nature Communications.

The Reaction Mechanism of Claisen Rearrangement Obtained by Transition State Spectroscopy and Single Direct-Dynamics Trajectory

Takayoshi Kobayashi, S. Hayashi, A. Yabushita, 2013, Molecules.

A polyaromatic nanocapsule as a sucrose receptor in water

S. Hayashi, M. Yoshizawa, Masahiro Yamashina, 2017, Science Advances.

Reaction Dynamics of Charge-Transfer State Formation of 4-(N,N-Dimethylamino)Benzonitrile in a Methanol Solution - Theoretical Analyses

K. Ando, S. Hayashi, S. Kato, 1995 .

A theoretical study on excited state double proton transfer reaction of a 7-azaindole dimer: an ab initio potential energy surface and its empirical valence bond model.

S. Hayashi, S. Kato, K. Ando, 2011, Physical chemistry chemical physics : PCCP.

QM/MM Reweighting Free Energy SCF for Geometry Optimization on Extensive Free Energy Surface of Enzymatic Reaction.

Shigehiko Hayashi, Takahiro Kosugi, S. Hayashi, 2012, Journal of chemical theory and computation.

THERMALLY REVERSIBLE PHOTOCHROMIC SYSTEMS. PHOTOCHROMISM OF A DIPYRROLYLPERFLUOROCYCLOPENTENE

Shigehiko Hayashi, Masahiro Irie, Kingo Uchida, 1999 .

Molecular dynamics investigation of primary photoinduced events in the activation of rhodopsin.

Klaus Schulten, Shigehiko Hayashi, Emad Tajkhorshid, 2002, Biophysical journal.

Theoretical Studies on the Color-Tuning Mechanism in Retinal Proteins.

Jun-Ya Hasegawa, Hiroshi Nakatsuji, Shigehiko Hayashi, 2007, Journal of chemical theory and computation.

On the color-tuning mechanism of Human-Blue visual pigment: SAC-CI and QM/MM study

Hiroshi Nakatsuji, Shigehiko Hayashi, Kazuhiro Fujimoto, 2006 .

Structural determinants of spectral tuning in retinal proteins - Bacteriorhodopsin vs sensory rhodopsin II

Klaus Schulten, Shigehiko Hayashi, Antoine Royant, 2001 .

Photochemical reaction dynamics of the primary event of vision studied by means of a hybrid molecular simulation.

Klaus Schulten, Shigehiko Hayashi, Emad Tajkhorshid, 2009, Biophysical journal.

Converting a light-driven proton pump into a light-gated proton channel.

S. Hayashi, S. Miyauchi, H. Kandori, 2015, Journal of the American Chemical Society.

Molecular dynamics simulation of bacteriorhodopsin's photoisomerization using ab initio forces for the excited chromophore.

K. Schulten, E. Tajkhorshid, S. Hayashi, 2003, Biophysical journal.

Role of Bulk Water Environment in Regulation of Functional Hydrogen-Bond Network in Photoactive Yellow Protein.

S. Hayashi, Koichi Tamura, 2015, The journal of physical chemistry. B.

Key chemical factors of arginine finger catalysis of F1-ATPase clarified by an unnatural amino acid mutation.

R. Iino, H. Noji, S. Hayashi, 2015, Biochemistry.

Crucial role of protein flexibility in formation of a stable reaction transition state in an α-amylase catalysis.

S. Hayashi, T. Kosugi, 2012, Journal of the American Chemical Society.

11 Quantum Biology of Retinal

K. Schulten, S. Hayashi, 2012 .

Molecular mechanism of ATP hydrolysis in F1-ATPase revealed by molecular simulations and single-molecule observations.

Shigehiko Hayashi, Hiroyuki Noji, Yuko Ito, 2012, Journal of the American Chemical Society.

The Spectrophotometric Determination of Anions by Solvent Extraction with Metal Chelate Cations. XIII. A New Method for the Determination of Picric Acid

S. Hayashi, K. Kimura, Yuroku Yamamoto, 1965 .

Geometry optimization based on linear response free energy with quantum mechanical/molecular mechanical method: applications to Menshutkin-type and Claisen rearrangement reactions in aqueous solution.

S. Hayashi, S. Kato, M. Higashi, 2007, The Journal of chemical physics.

Photoactivation Intermediates of a G-Protein Coupled Receptor Rhodopsin Investigated by a Hybrid Molecular Simulation.

S. Hayashi, M. Kamiya, 2017, The journal of physical chemistry. B.

Theoretical study on excited states of bacteriochlorophyll a in solutions with density functional assessment.

S. Hayashi, S. Saito, M. Higashi, 2014, The journal of physical chemistry. B.

Author Correction: Cryo-EM structures of thermostabilized prestin provide mechanistic insights underlying outer hair cell electromotility

O. Nureki, K. Homma, T. Nishizawa, 2022, Nature Communications.

Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin

O. Nureki, P. Hegemann, Y. Joti, 2021, eLife.

A search for ligand diffusion pathway in myoglobin using a metadynamics simulation

Shigehiko Hayashi, Shigeki Kato, Yasutaka Nishihara, 2008 .

Electronic coulombic coupling of excitation-energy transfer in xanthorhodopsin.

S. Hayashi, K. Fujimoto, 2009, Journal of the American Chemical Society.

Role of hydrogen-bond network in energy storage of bacteriorhodopsin's light-driven proton pump revealed by ab initio normal-mode analysis.

K. Schulten, E. Tajkhorshid, S. Hayashi, 2004, Journal of the American Chemical Society.

Solvent Effect on Intramolecular Long-Range Electron-Transfer Reactions between Porphyrin and Benzoquinone in an Acetonitrile Solution: Molecular Dynamics Calculations of Reaction Rate Constants

Shigehiko Hayashi, Shigeki Kato, S. Hayashi, 1998 .

Application of nanoparticles dispersed polymer to micropowder blasting mask

O. Tabata, S. Hayashi, O. Tabata, 2004, Journal of Microelectromechanical Systems.

Adenosine triphosphate hydrolysis mechanism in kinesin studied by combined quantum-mechanical/molecular-mechanical metadynamics simulations.

Shigehiko Hayashi, Shoji Takada, Matthew J. McGrath, 2013, Journal of the American Chemical Society.

Local entropy difference upon a substrate binding of a psychrophilic α-amylase and a mesophilic homologue

S. Hayashi, T. Kosugi, 2011 .

Fabrication of Plastic Micro Tip Array using Laser Micromachining of Nanoparticles Dispersed Polymer and Micromolding

O. Tabata, S. Hayashi, H. Yagyu, 2006 .

Molecular Dynamics of Channelrhodopsin at the Early Stages of Channel Opening

K. Deisseroth, O. Nureki, H. Kato, 2015, PloS one.

X-ray Crystallographic Structure of Thermophilic Rhodopsin

S. Hayashi, Masaki Yamamoto, S. Miyauchi, 2016, The Journal of Biological Chemistry.

An Atomistic Model of a Precursor State of Light-Induced Channel Opening of Channelrhodopsin

O. Nureki, N. Yoshida, S. Hayashi, 2018, Biophysical journal.

Liquid Structures and Diffusion Dynamics of Alkyl-Pyrene Liquids Studied by Molecular Dynamics Simulations.

S. Hayashi, Yuki Yamamoto, T. Nakanishi, 2023, The journal of physical chemistry. B.

ATP hydrolysis in the betaTP and betaDP catalytic sites of F1-ATPase.

K. Schulten, S. Hayashi, M. Dittrich, 2004, Biophysical journal.

Structural and spectral characterizations of C1C2 channelrhodopsin and its mutants by molecular simulations

O. Nureki, H. Kato, S. Hayashi, 2013 .

Title Atomistic design of microbial opsin-based blue-shiftedoptogenetics tools

Hideaki E. Kato, O. Nureki, A. Yamanaka, 2018 .

Laser microfabrication using nano-particles dispersed polymer resist

O. Tabata, S. Hayashi, H. Yagyu, 2003, TRANSDUCERS '03. 12th International Conference on Solid-State Sensors, Actuators and Microsystems. Digest of Technical Papers (Cat. No.03TH8664).

Laser Micromachining Technique of Nano-Particles Dispersed Polymer

Shigehiko Hayashi, Osamu Tabata, Hiromasa Yagyu, 2003 .

QM/MM Reweighting Free Energy SCF for Geometry Optimization on Extensive Free Energy Surface of Enzymatic Reaction.

S. Hayashi, T. Kosugi, 2012, Journal of chemical theory and computation.

Protein collective motions coupled to ligand migration in myoglobin.

S. Hayashi, S. Kato, Y. Nishihara, 2010, Biophysical journal.

Quantum biology of retinal

Klaus Schulten, Shigehiko Hayashi, K. Schulten, 2014 .

Facile catch and release of fullerenes using a photoresponsive molecular tube.

S. Hayashi, M. Yoshizawa, N. Kishi, 2013, Journal of the American Chemical Society.

Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin

O. Nureki, P. Hegemann, Y. Joti, 2021, eLife.

Molecular mechanism of ATP hydrolysis in F_1-ATPase

K. Schulten, S. Hayashi, M. Dittrich, 2003 .